<p>Hi all,</p>
<p>When I used pp.x to analyse and plot data after "scf" and "nscf", I met some problems:</p>
<p>1.  The INPUT is:<br>    ------------------------------------------------------------------------------<br>    &inputpp<br>      prefix  = 'ttt_relax',<br>      outdir = '/home.snfs/fjma/tmp_test/tmp_test/',<br>      filplot = 'test',
<br>      plot_num = 3<br>    &<br>    &plot<br>    nfile = 1 ,<br>    filepp(1) = 'test' ,<br>    weight(1) = 1.0 ,<br>    iflag = 2 ,<br>    output_format = 2,<br>    fileout = 'test.rho.dat',<br>    x0(1) =0.0, x0(2)=
0.0, x0(3)=0.0,<br>    e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,<br>    e2(1) =0.0, e2(2)=1.0, e2(3) = 0.0,<br>    nx=20, ny=20<br>    &       <br>    --------------------------------------------------------------------------------
</p>
<p>    and the error is :</p>
<p>    --------------------------------------------------------------------------------<br>     nbndx  =    40  nbnd   =    40  natomwfc =    66  npwx   =   23472<br>     nelec  =  66.00  nkb   =   132  ngl    =   13548</p>

<p>     Calling punch_plot, plot_num =   3<br>     IOS = **</p>
<p>     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>        from davcio : error #        10<br>        i/o error in davcio<br>     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
</p>
<p>     stopping ...<br>     --------------------------------------------------------------------------------</p>
<p>2. The INPUT is:</p>
<p>    ------------------------------------------------------------------------------<br>    &inputpp<br>      prefix  = 'ttt_relax',<br>      outdir = '/home.snfs/fjma/tmp_test/tmp_test/',<br>      filplot = 'test',
<br>      plot_num = 7,<br>      kpoint= 26,<br>      kband= 33,<br>    &<br>    &plot<br>    nfile = 1 ,<br>    filepp(1) = 'test' ,<br>    weight(1) = 1.0 ,<br>    iflag = 2 ,<br>    output_format = 2,<br>    fileout = '
test.rho.dat',<br>    x0(1) =0.0, x0(2)=0.0, x0(3)=0.0,<br>    e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,<br>    e2(1) =0.0, e2(2)=1.0, e2(3) = 0.0,<br>    nx=20, ny=20<br>    &       <br>    --------------------------------------------------------------------------------
</p>
<p>    and the error is :</p>
<p>    --------------------------------------------------------------------------------<br>     nbndx  =    40  nbnd   =    40  natomwfc =    66  npwx   =   23472<br>     nelec  =  66.00  nkb   =   132  ngl    =   13548</p>

<p>     Calling punch_plot, plot_num =   7<br>     IOS = **</p>
<p>     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>        from davcio : error #        10<br>        i/o error in davcio<br>     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
</p>
<p>     stopping ...<br>     --------------------------------------------------------------------------------</p>
<p><br>Thanks for your help.</p>
<p>Yours,<br>Ma</p>